N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane

C9H16N2O3 — CID 144792557

IUPACN-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane
SMILESCCC(=O)N(CC#N)CC=O.COC
InChIInChI=1S/C7H10N2O2.C2H6O/c1-2-7(11)9(4-3-8)5-6-10;1-3-2/h6H,2,4-5H2,1H3;1-2H3
InChIKeyDVKPGYRXWGRDOB-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.21
Rot. Bonds4

About N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane

N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane (PubChem CID 144792557) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane.

Molecular Properties

Compound NameN-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane
PubChem CID144792557
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane
SMILESCCC(=O)N(CC#N)CC=O.COC
InChIInChI=1S/C7H10N2O2.C2H6O/c1-2-7(11)9(4-3-8)5-6-10;1-3-2/h6H,2,4-5H2,1H3;1-2H3
InChIKeyDVKPGYRXWGRDOB-UHFFFAOYSA-N
XLogP0.21
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(cyanomethyl)-2-ethoxyacetamide
CID 4187434
N,N-diethylpropanamide;propane;propanenitrile
CID 157233507
ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate
CID 139759873
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide
CID 103020145
N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
CID 61381682
methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate
CID 19738529
1,1-bis(cyanomethyl)-3,3-dimethylurea
CID 116653848
N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 94689354
N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide
CID 177013058
methyl N-(cyanomethyl)-N-dodecylcarbamate
CID 11011471
2-(1-aminocyclobutyl)-N,N-bis(cyanomethyl)acetamide
CID 79852041

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane?
The IUPAC name of N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane (CID 144792557) is N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane.
What is the SMILES notation for N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane?
The canonical SMILES for N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane is CCC(=O)N(CC#N)CC=O.COC.
What is the InChIKey of N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane?
The InChIKey is DVKPGYRXWGRDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H6O/c1-2-7(11)9(4-3-8)5-6-10;1-3-2/h6H,2,4-5H2,1H3;1-2H3.
What are the key properties of N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane?
N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane has a molecular weight of 200.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane is sourced from PubChem (CID 144792557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).